3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole

C12H11F3N2OS — CID 166273540

IUPAC3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(C2(C(F)(F)F)CC2)cs1
InChIInChI=1S/C12H11F3N2OS/c1-6-9(7(2)18-17-6)10-16-8(5-19-10)11(3-4-11)12(13,14)15/h5H,3-4H2,1-2H3
InChIKeyHMZFBCOGJSVFTF-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.01
Rot. Bonds2

About 3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole

3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 166273540) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID166273540
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(C2(C(F)(F)F)CC2)cs1
InChIInChI=1S/C12H11F3N2OS/c1-6-9(7(2)18-17-6)10-16-8(5-19-10)11(3-4-11)12(13,14)15/h5H,3-4H2,1-2H3
InChIKeyHMZFBCOGJSVFTF-UHFFFAOYSA-N
XLogP4.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole
CID 69116242
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485219
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 61280175
3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole
CID 126793475
3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
CID 124978642
3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole
CID 124946763
1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine
CID 84775893
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2741597
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one
CID 24825951
3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
CID 154305895
[3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol
CID 118937103
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole (CID 166273540) is 3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole is Cc1noc(C)c1-c1nc(C2(C(F)(F)F)CC2)cs1.
What is the InChIKey of 3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is HMZFBCOGJSVFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-6-9(7(2)18-17-6)10-16-8(5-19-10)11(3-4-11)12(13,14)15/h5H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 288.29 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 166273540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).